General Information of the Compound
| Compound ID |
CP0547200
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| Compound Name |
1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-phenyl}-cyclobutanol
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| Structure |
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| Formula |
C25H23F4NO4
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| Molecular Weight |
477.454
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| Canonical SMILES |
OC1(CCC1)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C25H23F4NO4/c26-23(27)33-21-7-4-18(15-22(21)34-24(28)29)20(14-16-8-12-30(32)13-9-16)17-2-5-19(6-3-17)25(31)10-1-11-25/h2-9,12-13,15,20,23-24,31H,1,10-11,14H2
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| InChIKey |
BQBXUBKPGWCNFW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound